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Isoquinoline, 8-bromo-5,6,7-trimethoxy-
SpectraBase Compound ID 2IFNmzdtkzp
InChI InChI=1S/C12H12BrNO3/c1-15-10-7-4-5-14-6-8(7)9(13)11(16-2)12(10)17-3/h4-6H,1-3H3
InChIKey FIYYBBSGAQOQSW-UHFFFAOYSA-N
Mol Weight 298.14 g/mol
Molecular Formula C12H12BrNO3
Exact Mass 297.000056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qutrS6xFBA
Name Isoquinoline, 8-bromo-5,6,7-trimethoxy-
CAS Registry Number 81925-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12BrNO3
InChI InChI=1S/C12H12BrNO3/c1-15-10-7-4-5-14-6-8(7)9(13)11(16-2)12(10)17-3/h4-6H,1-3H3
InChIKey FIYYBBSGAQOQSW-UHFFFAOYSA-N
Molecular Weight 298.136 g/mol
SMILES c1(c(c(OC)c2c(c1Br)cncc2)OC)OC
SPLASH splash10-000t-0090000000-758b90656d3075a75dac
Source of Spectrum F-37-3980-0
Synonyms 8-Bromanyl-5,6,7-trimethoxy-isoquinoline 8-Bromo-5,6,7-trimethoxy-isoquinoline
Wiley ID 1299918